| SpectraBase Spectrum ID |
Gv20tV9eB2l |
| Name |
(E)-ethyl 4-(4-bromophenyl)-2-methyl-4-oxo-3-(trifluoromethylthio)but-2-enoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H12BrF3O3S |
| InChI |
InChI=1S/C14H12BrF3O3S/c1-3-21-13(20)8(2)12(22-14(16,17)18)11(19)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3/b12-8+ |
| InChIKey |
RYKQPFFHEQIINJ-XYOKQWHBSA-N |
| Instrument Name |
IonSpec FT-ICR |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202000304 |
| Molecular Weight |
397.206 g/mol |
| Reported Formula |
C14H12BrF3O3S |
| SMILES |
c1(ccc(cc1)C(\C(=C\(C)C(OCC)=O)SC(F)(F)F)=O)Br |
| SPLASH |
splash10-0a5j-0900000000-4ba991bbd18c88e46aaa |
| Source of Spectrum |
ASC-362-SM6-2f |
| Wiley ID |
1839321 |
